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CHEBI:172393 - glycocholate 7-sulfate(2−)

ChEBI IDCHEBI:172393
ChEBI Nameglycocholate 7-sulfate(2−)
Stars
ASCII Nameglycocholate 7-sulfate(2-)
DefinitionA steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of glycocholic acid 7-sulfate; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC26H41NO9S
Net Charge-2
Average Mass543.679
Monoisotopic Mass543.25130
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)NCC(=O)[O-])[C@]1([H])[C@H](OS(=O)(=O)[O-])C2
InChIInChI=1S/C26H43NO9S/c1-14(4-7-22(30)27-13-23(31)32)17-5-6-18-24-19(12-21(29)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)36-37(33,34)35/h14-21,24,28-29H,4-13H2,1-3H3,(H,27,30)(H,31,32)(H,33,34,35)/p-2/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
InChIKeyBJPPZTDOLXZUSK-FRVQLJSFSA-L
ChEBI Ontology
Outgoing Relation(s)
glycocholate 7-sulfate(2−) (CHEBI:172393) has functional parent glycocholate (CHEBI:29746)
glycocholate 7-sulfate(2−) (CHEBI:172393) is a steroid sulfate oxoanion (CHEBI:59696)
UniProt Name  Source
glycocholate 7-sulfateUniProt
Citations